Compound Detail
CHEMBL495285
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Basic Information
| ChEMBL ID | CHEMBL495285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQXVFZVEBYAYEJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
287.4
MW (Da)
3.52
ALogP
4
HBA
3
HBD
57.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP90 CHEMBL2095165 | IC50 | 5.81 | 5.81 | 1560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP90 | IC50 | = | 1560.0 | nM | 5.81 | PUBCHEM_BIOASSAY: Tumor Hsp90 Inhibitors Dose Response Confirmation. (Class of a... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18571929 | 10.1016/j.bmc.2008.05.047 | Heat shock protein HSP90 | 2 |
Data from ChEMBL 36 via Core Engine